2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)

C60H82O4 — CID 91486771

IUPAC2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)
SMILESCc1c(C)c(C)c(CO)c(C)c1C.Cc1c(C)c(C)c(CO)c(C)c1C.Cc1c(C)c(C)c2c(C)c(CO)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C=O)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H22O.C18H24O.2C12H18O/c1-9-10(2)15(7)18-16(8-19)12(4)11(3)14(6)17(18)13(9)5;1-9-10(2)13(5)18-15(7)16(8-19)11(3)14(6)17(18)12(9)4;2*1-7-8(2)10(4)12(6-13)11(5)9(7)3/h8H,1-7H3;19H,8H2,1-7H3;2*13H,6H2,1-5H3
InChIKeyUJAYRQBVLKFVHP-UHFFFAOYSA-N
MW867.31 g/mol
LogP14.74
Rot. Bonds4

About 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)

2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol) (PubChem CID 91486771) has the molecular formula C60H82O4 and a molecular weight of 867.31 g/mol. Its IUPAC name is 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol).

Molecular Properties

Compound Name2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)
PubChem CID91486771
Molecular FormulaC60H82O4
Molecular Weight867.31 g/mol
Exact Mass866.62
IUPAC Name2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)
SMILESCc1c(C)c(C)c(CO)c(C)c1C.Cc1c(C)c(C)c(CO)c(C)c1C.Cc1c(C)c(C)c2c(C)c(CO)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C=O)c(C)c(C)c(C)c2c1C
InChIInChI=1S/C18H22O.C18H24O.2C12H18O/c1-9-10(2)15(7)18-16(8-19)12(4)11(3)14(6)17(18)13(9)5;1-9-10(2)13(5)18-15(7)16(8-19)11(3)14(6)17(18)12(9)4;2*1-7-8(2)10(4)12(6-13)11(5)9(7)3/h8H,1-7H3;19H,8H2,1-7H3;2*13H,6H2,1-5H3
InChIKeyUJAYRQBVLKFVHP-UHFFFAOYSA-N
XLogP14.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.31
LogP ≤ 514.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol) with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)?
The IUPAC name of 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol) (CID 91486771) is 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol).
What is the SMILES notation for 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)?
The canonical SMILES for 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol) is Cc1c(C)c(C)c(CO)c(C)c1C.Cc1c(C)c(C)c(CO)c(C)c1C.Cc1c(C)c(C)c2c(C)c(CO)c(C)c(C)c2c1C.Cc1c(C)c(C)c2c(C=O)c(C)c(C)c(C)c2c1C.
What is the InChIKey of 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)?
The InChIKey is UJAYRQBVLKFVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O.C18H24O.2C12H18O/c1-9-10(2)15(7)18-16(8-19)12(4)11(3)14(6)17(18)13(9)5;1-9-10(2)13(5)18-15(7)16(8-19)11(3)14(6)17(18)12(9)4;2*1-7-8(2)10(4)12(6-13)11(5)9(7)3/h8H,1-7H3;19H,8H2,1-7H3;2*13H,6H2,1-5H3.
What are the key properties of 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol)?
2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol) has a molecular weight of 867.31 g/mol, XLogP of 14.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7,8-heptamethylnaphthalene-1-carbaldehyde;(1,3,4,5,6,7,8-heptamethylnaphthalen-2-yl)methanol;bis((2,3,4,5,6-pentamethylphenyl)methanol) is sourced from PubChem (CID 91486771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).